SCHEMBL31440653

SCHEMBL31440653

COC(=O)c1cc(Oc2cc(C)cc(B3OC(C)(C)C(C)(C)O3)c2)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.39
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PDE4B Q07343 1/20 0.34
P2RX3 P56373 1/20 0.34
CSF1R P07333 1/20 0.33
LIPE Q05469 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
DGAT1 O75907 1/20 0.32
NR1I2 O75469 1/20 0.32
UCHL1 P09936 1/20 0.32
GLO1 Q04760 1/20 0.32
AAK1 Q2M2I8 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3416598 0.80 HIF1A (0.43) HIF1ACA1CA2CA9CSF1R
SCHEMBL31440581 0.78 ALDH1A1 (0.41) HIF1ACA1CA2CA9CSF1R
SCHEMBL14907284 0.77 KDM4E (0.49) CA1CA2CA9P2RX3POLB
SCHEMBL31440549 0.75 GLO1 (0.39) P2RX3POLBGAAKDM4ECYP1A2
SCHEMBL30545643 0.73 CNR2 (0.42) HIF1ACA1CA2CA9CSF1R
SCHEMBL7475416 0.73 CNR2 (0.42) HIF1ACA1CA2CA9CSF1R
SCHEMBL209359 0.72 HIF1A (0.43) HIF1ACA1CA2CA9CSF1R
SCHEMBL407878 0.71 CSF1R (0.41) HIF1ACA1CA2CA9CSF1R
SCHEMBL31617588 0.71 LIPE (0.43) HIF1ACA1CA2CA9PDE4B
SCHEMBL15028056 0.70 NR1H4 (0.53) POLBGAAKDM4ECYP1A2CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025014200-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 티움바이오 2025-01-16 WO disclosed